SCHEMBL26068

SCHEMBL26068

CCC[N]C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
EPHX1 P07099 1/20 0.36
HIF1A Q16665 1/20 0.36
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SHBG P04278 1/20 0.33
HSD11B1 P28845 8/20 0.32
ADH1A P07327 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8393739 1.00 CYP1A2 (0.37) CYP1A2EPHX1HIF1ASIGMAR1ALDH1A1
SCHEMBL193152 0.97
SCHEMBL919602 0.92
SCHEMBL920032 0.86
SCHEMBL303718 0.85 CYP1A2 (0.44) CYP1A2EPHX1HIF1ASIGMAR1ALDH1A1
SCHEMBL7054446 0.83 SIGMAR1 (0.46) CYP1A2EPHX1SIGMAR1
SCHEMBL920855 0.82 CYP1A2 (0.41) CYP1A2SIGMAR1
SCHEMBL10444336 0.81 SIGMAR1 (0.49) CYP1A2EPHX1SIGMAR1
SCHEMBL9214648 0.81 SIGMAR1 (0.49) CYP1A2EPHX1SIGMAR1
SCHEMBL9737302 0.81 SIGMAR1 (0.49) CYP1A2EPHX1SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 517 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US claimed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US claimed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US claimed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP claimed
EP-3244896-B1 METHODS FOR TREATING PULMONARY HYPERTENSION REVIVA PHARMACEUTICALS INC (US) 2024-06-12 EP disclosed
US-20230263803-A1 METHODS OF PREVENTING OR TREATING COVID-19 AND RELATED VIRAL DISEASES OR DISORDERS KINARUS AG (CH) 2023-08-24 US disclosed
EP-4196120-A1 METHODS OF PREVENTING OR TREATING COVID-19 AND RELATED VIRAL DISEASES OR DISORDERS Kinarus AG (CH) 2023-06-21 EP disclosed
US-20230104341-A1 Hazardous Agent Injection System ANTARES PHARMA, INC. (US) 2023-04-06 US disclosed
EP-4159212-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. (US) 2023-04-05 EP disclosed
US-11576916-B2 Methods of preventing or treating ophthalmic diseases KINARUS AG (CH) 2023-02-14 US disclosed
US-11365175-B2 Aromatic amides having a fungicidal activity, their agronomic compositions and relative preparation method ISAGRO S.P.A. (IT) 2022-06-21 US disclosed
EP-0063826-A2 2-Amino-benzoic-acid derivatives, their preparation and their use as medicines or intermediates Dr. Karl Thomae GmbH (DE) 1982-11-03 EP disclosed
EP-0058779-A2 Carboxamides, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1982-09-01 EP disclosed
EP-0046572-A2 6-Quinazolinesulfonyl derivatives and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-03-03 EP disclosed
EP-0034743-A1 Benzoxazoles, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-09-02 EP disclosed
EP-0026414-A2 Water soluble monoazo compounds, their preparation and their use as dyestuffs in dyeing and printing textile materials, as well as the amines per se CIBA-GEIGY AG (CH) 1981-04-08 EP disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP disclosed
US-4182887-A ANTIPHLOGISTIC, ANTITHROMBOTIC BOEHRINGER INGELHEIM GMBH (DE) 1980-01-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230104341-A1 Hazardous Agent Injection System TIAL1, AHSA1, GYS2 CYP1A2 110/4885EPHX1 56/4885HIF1A 4530/4885
US-11576916-B2 Methods of preventing or treating ophthalmic diseases PPARA, PPARG, PPARD CYP1A2 2355/4885EPHX1 2509/4885HIF1A 1141/4885
US-20230263803-A1 METHODS OF PREVENTING OR TREATING COVID-19 AND RELATED VIRAL DISEASES OR DISORDERS PPARA, PPARD, PPARG CYP1A2 631/4885EPHX1 2357/4885HIF1A 924/4885
US-11365175-B2 Aromatic amides having a fungicidal activity, their agronomic compositions and relative preparation method CYP51A1, NAT1, AADAC CYP1A2 7/4885EPHX1 885/4885HIF1A 3039/4885
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 CYP1A2 1657/4885EPHX1 825/4885HIF1A 389/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 CYP1A2 1726/4885EPHX1 792/4885HIF1A 377/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.